Structure of PDB 8qcc Chain B Binding Site BS03

Receptor Information
>8qcc Chain B (length=280) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTQWPSPAKLNLFLYITGQRADGYHTLQTLFQFLDYGDTISIELRDDGDI
RLLTPVEGVEHEDNLIVRAARLLMKTAADSGRLPTGSGANISIDKRLPVG
GGLGGGSSNAATVLVALNHLWQCGLSMDELAEMGLTLGADVPVFVRGHAA
FAEGVGEILTPVDPPEKWYLVAHPGVSIPTPVIFKDPELPRNTPKRSIET
LLKCEFSNDCEVIARKRFREVDAVLSWLLEYAPSRLTGTGACVFAEFDTE
SEARQVLEQAPEWLNGFVAKGVNLSPLHRA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8qcc Chain B Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8qcc E.coli IspE in complex with a ligand (1)
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y37 G38
Binding residue
(residue number reindexed from 1)		Y36 G37
Annotation score1
External links
PDB RCSB:8qcc, PDBe:8qcc, PDBj:8qcc
PDBsum8qcc
PubMed
UniProtB7LXC3|ISPE_ECO8A 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (Gene Name=ispE)

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